AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Prostaglandin E synthase 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9H7Z7

UPID:

PGES2_HUMAN

Alternative names:

Membrane-associated prostaglandin E synthase-2; Microsomal prostaglandin E synthase 2; Prostaglandin-H(2) E-isomerase

Alternative UPACC:

Q9H7Z7; Q53EW9; Q5SYV6; Q96GI0; Q96GL2

Background:

Prostaglandin E synthase 2 (PTGES2), also known as Membrane-associated prostaglandin E synthase-2, plays a crucial role in the conversion of PGH2 into PGE2, a process vital for maintaining various physiological functions. Despite debates over its GSH-dependent property, PTGES2's involvement in catalyzing the degradation of PGH2 to HHT and MDA highlights its complex biological role.

Therapeutic significance:

Understanding the role of Prostaglandin E synthase 2 could open doors to potential therapeutic strategies, offering new avenues for drug discovery and development in managing diseases where prostaglandin synthesis and degradation are implicated.

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